N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide

C48H47N3O2 — CID 18338805

IUPACN-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide
SMILESO=C(NCc1ccccc1)C1C(Cc2ccc(OCc3ccccc3)cc2)N=C(CC(c2ccccc2)c2ccccc2)N1CCCc1ccccc1
InChIInChI=1S/C48H47N3O2/c52-48(49-35-39-19-8-2-9-20-39)47-45(33-38-28-30-43(31-29-38)53-36-40-21-10-3-11-22-40)50-46(51(47)32-16-23-37-17-6-1-7-18-37)34-44(41-24-12-4-13-25-41)42-26-14-5-15-27-42/h1-15,17-22,24-31,44-45,47H,16,23,32-36H2,(H,49,52)
InChIKeyIGQSCYWHPCRAPS-UHFFFAOYSA-N
MW697.92 g/mol
LogP9.43
Rot. Bonds16

About N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide

N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide (PubChem CID 18338805) has the molecular formula C48H47N3O2 and a molecular weight of 697.92 g/mol. Its IUPAC name is N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide
PubChem CID18338805
Molecular FormulaC48H47N3O2
Molecular Weight697.92 g/mol
Exact Mass697.37
IUPAC NameN-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide
SMILESO=C(NCc1ccccc1)C1C(Cc2ccc(OCc3ccccc3)cc2)N=C(CC(c2ccccc2)c2ccccc2)N1CCCc1ccccc1
InChIInChI=1S/C48H47N3O2/c52-48(49-35-39-19-8-2-9-20-39)47-45(33-38-28-30-43(31-29-38)53-36-40-21-10-3-11-22-40)50-46(51(47)32-16-23-37-17-6-1-7-18-37)34-44(41-24-12-4-13-25-41)42-26-14-5-15-27-42/h1-15,17-22,24-31,44-45,47H,16,23,32-36H2,(H,49,52)
InChIKeyIGQSCYWHPCRAPS-UHFFFAOYSA-N
XLogP9.43
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.92
LogP ≤ 59.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-oxo-5-(4-phenylmethoxyphenyl)pentanamide
CID 54443194
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
(4S)-N-benzyl-4-hydroxy-6-(4-phenylmethoxyphenyl)hexanamide
CID 57123573
benzyl N-[1-(benzylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 56694181
(4R)-3-benzoyl-N-[(4-phenylmethoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55938881
N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119283165
3-amino-N-[(4-phenylmethoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712143
N-[(4-fluorophenyl)methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7478807
6-(4-phenylmethoxyphenyl)hexanoic acid
CID 138486172
3-(1-adamantyl)-2-hydroxy-N-[(4-phenylmethoxyphenyl)methyl]propanamide
CID 59781189
N-[(4-phenylmethoxyphenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071238
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide?
The IUPAC name of N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide (CID 18338805) is N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide is O=C(NCc1ccccc1)C1C(Cc2ccc(OCc3ccccc3)cc2)N=C(CC(c2ccccc2)c2ccccc2)N1CCCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide?
The InChIKey is IGQSCYWHPCRAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H47N3O2/c52-48(49-35-39-19-8-2-9-20-39)47-45(33-38-28-30-43(31-29-38)53-36-40-21-10-3-11-22-40)50-46(51(47)32-16-23-37-17-6-1-7-18-37)34-44(41-24-12-4-13-25-41)42-26-14-5-15-27-42/h1-15,17-22,24-31,44-45,47H,16,23,32-36H2,(H,49,52).
What are the key properties of N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide?
N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide has a molecular weight of 697.92 g/mol, XLogP of 9.43, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2,2-diphenylethyl)-5-[(4-phenylmethoxyphenyl)methyl]-3-(3-phenylpropyl)-4,5-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 18338805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).